furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone

C19H17N5O2 — CID 658799

IUPACfuran-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1
InChIInChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2
InChIKeyLVBLJETUJLRUDS-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.67
Rot. Bonds2

About furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone (PubChem CID 658799) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone
PubChem CID658799
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namefuran-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1
InChIInChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2
InChIKeyLVBLJETUJLRUDS-UHFFFAOYSA-N
XLogP2.67
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone (CID 658799) is furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone?
The InChIKey is LVBLJETUJLRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2.
What are the key properties of furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone has a molecular weight of 347.38 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(5H-pyrimido[5,4-b]indol-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 658799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).